2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide

C26H34N6O3 — CID 145132638

IUPAC2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cnc2nc(-c3ccc(OCC(=O)NCC4CCCO4)cc3)[nH]c2c1NC1CCN(C)CC1
InChIInChI=1S/C26H34N6O3/c1-17-14-28-26-24(23(17)29-19-9-11-32(2)12-10-19)30-25(31-26)18-5-7-20(8-6-18)35-16-22(33)27-15-21-4-3-13-34-21/h5-8,14,19,21H,3-4,9-13,15-16H2,1-2H3,(H,27,33)(H2,28,29,30,31)
InChIKeyYHFVZIJNILORPB-UHFFFAOYSA-N
MW478.60 g/mol
LogP3.11
Rot. Bonds8

About 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide

2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 145132638) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID145132638
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cnc2nc(-c3ccc(OCC(=O)NCC4CCCO4)cc3)[nH]c2c1NC1CCN(C)CC1
InChIInChI=1S/C26H34N6O3/c1-17-14-28-26-24(23(17)29-19-9-11-32(2)12-10-19)30-25(31-26)18-5-7-20(8-6-18)35-16-22(33)27-15-21-4-3-13-34-21/h5-8,14,19,21H,3-4,9-13,15-16H2,1-2H3,(H,27,33)(H2,28,29,30,31)
InChIKeyYHFVZIJNILORPB-UHFFFAOYSA-N
XLogP3.11
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 122484969
N-butan-2-yl-2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]acetamide;ethane
CID 145132646
2-[4-[6-chloro-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2-methylphenoxy]-N-methylacetamide
CID 122484993
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39819010
2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 9123141
2-(3,4-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2419982
2-[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 168587281
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
6-bromo-2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridin-7-amine
CID 134176916
2-[4-[6-chloro-7-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-[1-(dimethylamino)-2-methylpropan-2-yl]acetamide
CID 122485034
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
2-(4-bromo-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 845232

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide (CID 145132638) is 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide is Cc1cnc2nc(-c3ccc(OCC(=O)NCC4CCCO4)cc3)[nH]c2c1NC1CCN(C)CC1.
What is the InChIKey of 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YHFVZIJNILORPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-17-14-28-26-24(23(17)29-19-9-11-32(2)12-10-19)30-25(31-26)18-5-7-20(8-6-18)35-16-22(33)27-15-21-4-3-13-34-21/h5-8,14,19,21H,3-4,9-13,15-16H2,1-2H3,(H,27,33)(H2,28,29,30,31).
What are the key properties of 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide?
2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 478.60 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-methyl-7-[(1-methylpiperidin-4-yl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 145132638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).